5-bromanyl-N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]nicotinamide Formula: C18H18BrClN4OS MolecularWeight: 453.78372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=CN=C3)Br)Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=CN=C3)Br)Cl

InChI

InChI=1S/C18H18BrClN4OS/c19-13-8-12(10-21-11-13)17(25)23-18(26)22-14-4-5-16(15(20)9-14)24-6-2-1-3-7-24/h4-5,8-11H,1-3,6-7H2,(H2,22,23,25,26)